4-(2-methylphenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione
Basic information
- CAS
448189-01-3- Standard SMILES
Cc1ccccc1-n1c(-c2ccc3ccccc3n2)n[nH]c1=S- InChIKey
MOXHKAYPCUIFIO-UHFFFAOYSA-N- Molecular formula
- C18H14N4S
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.09391764
Names & identifiers
- Preferred name
- 4-(2-methylphenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione
- IUPAC
- 4-(2-methylphenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thione
Names & synonyms
4-(2-methylphenyl)-3-quinolin-2-yl-1H-1,2,4-triazole-5-thioneMLS000769851SMR0004345845-Quinolin-2-yl-4-o-tolyl-4H-[1,2,4]triazole-3-thiol4-(2-methylphenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol4-(2-methylphenyl)-5-(quinolin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione448189-01-3Oprea1_495687cid_706172CHEMBL1324104BDBM81113DTXSID501322721
Show more names
HMS2808J13STK767169STK846255AKOS001727270AKOS005626926ST4069856AN-919/40843429SR-01000537136
Database identifiers
- CAS
448189-01-3- PubChem CID
- 706172
- DTXSID
DTXSID501322721- ChEMBL
CHEMBL1324104
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 491
Experimental & physicochemical properties
Solubility15 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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